SCHEMBL8611991

SCHEMBL8611991

C=C(C)C(=O)c1cc(N)ccc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAOA P21397 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2888716 0.86 TSHR (0.60) GAAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL8612847 0.86 CHRM2 (0.43) GAAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL10668013 0.81 TSHR (0.55) GAAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL1403646 0.81 TSHR (0.55) GAAALDH1A1HSD17B10SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL10365583 0.80 TSHR (0.53) GAAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL8612851 0.78 ALOX5 (0.39) GAAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL8610548 0.78 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL549053 0.78 LMNA (0.58) GAAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL33352 0.78 ALDH1A1 (0.52) GAAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL31041162 0.78 LMNA (0.58) GAAALDH1A1HSD17B10SMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 US claimed
US-5851546-A Polymer composition for controlled release of active ingredients in response to pH, and a process of preparing the same COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-12-22 US disclosed